3-prop-2-enoxypiperidine-1-carboxylic acid

C9H15NO3 — CID 77164706

IUPAC3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCOC1CCCN(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-6-13-8-4-3-5-10(7-8)9(11)12/h2,8H,1,3-7H2,(H,11,12)
InChIKeyFMFOZIGFPUJGRL-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.33
Rot. Bonds3

About 3-prop-2-enoxypiperidine-1-carboxylic acid

3-prop-2-enoxypiperidine-1-carboxylic acid (PubChem CID 77164706) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-prop-2-enoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-prop-2-enoxypiperidine-1-carboxylic acid
PubChem CID77164706
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCOC1CCCN(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-6-13-8-4-3-5-10(7-8)9(11)12/h2,8H,1,3-7H2,(H,11,12)
InChIKeyFMFOZIGFPUJGRL-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58091442
(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 66896317
4,4-Dimethoxy-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 67548493
3-[(E)-but-2-enoxy]-4,4-dimethoxypiperidine-1-carboxylic acid
CID 67549181
3-But-2-enoxy-4,4-dimethoxypiperidine-1-carboxylic acid
CID 67549183
4-Oxo-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 67549370
(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 68517247
4-Prop-2-enoxypiperidine-1-carboxylic acid
CID 69040057
Ethyl 3-prop-2-enoxypiperidine-1-carboxylate
CID 91268093
tert-butyl (3S)-3-prop-2-enoxypiperidine-1-carboxylate
CID 91388176
tert-butyl (3R,5S)-3-methoxy-5-prop-2-enoxypiperidine-1-carboxylate
CID 170563817
2-Ethenylmorpholine-4-carboxylic acid
CID 174756238

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypiperidine-1-carboxylic acid?
The IUPAC name of 3-prop-2-enoxypiperidine-1-carboxylic acid (CID 77164706) is 3-prop-2-enoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-prop-2-enoxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-prop-2-enoxypiperidine-1-carboxylic acid is C=CCOC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-prop-2-enoxypiperidine-1-carboxylic acid?
The InChIKey is FMFOZIGFPUJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-6-13-8-4-3-5-10(7-8)9(11)12/h2,8H,1,3-7H2,(H,11,12).
What are the key properties of 3-prop-2-enoxypiperidine-1-carboxylic acid?
3-prop-2-enoxypiperidine-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 77164706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).